1TK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1G | PG | doub | 1.48Å | 1.48Å | |
| O2G | PG | sing | 1.61Å | 1.47Å | |
| PG | O3B | sing | 1.61Å | 1.64Å | |
| PG | O3G | sing | 1.61Å | 1.47Å | |
| O3B | PB | sing | 1.61Å | 1.67Å | |
| N4 | C4 | sing | 1.38Å | 1.49Å | |
| C4 | C5 | sing | 1.41Å | 1.36Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| O2B | PB | doub | 1.48Å | 1.52Å | |
| PB | O3A | sing | 1.61Å | 1.64Å | |
| PB | O1B | sing | 1.61Å | 1.52Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| O1A | PA | doub | 1.48Å | 1.47Å | |
| N3 | C2 | sing | 1.33Å | 1.32Å | |
| C6 | N1 | sing | 1.36Å | 1.33Å | |
| PA | O2A | sing | 1.61Å | 1.48Å | |
| PA | O5' | sing | 1.61Å | 1.64Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| C2 | O2 | doub | 1.22Å | 1.18Å | |
| N1 | C1' | sing | 1.46Å | 1.42Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| O4' | C1' | sing | 1.44Å | 1.65Å | |
| O4' | C4' | sing | 1.44Å | 1.29Å | |
| C1' | C2' | sing | 1.54Å | 1.34Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C4' | C3' | sing | 1.55Å | 1.59Å | |
| F1 | C2' | sing | 1.40Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.56Å | |
| C3' | O3' | sing | 1.43Å | 1.35Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| O1B | H11 | sing | 0.97Å | 0.95Å | |
| O2A | H12 | sing | 0.97Å | 0.95Å | |
| O2G | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| O3G | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 110.2° | 109.5° |
| O1G | PG | O3B | 109.3° | 109.4° |
| O1G | PG | O3G | 110.9° | 109.5° |
| O2G | PG | O3B | 105.2° | 109.5° |
| O2G | PG | O3G | 110.3° | 109.5° |
| PG | O2G | H13 | 109.5° | 114.0° |
| O3B | PG | O3G | 111.0° | 109.5° |
| PG | O3B | PB | 121.8° | 134.0° |
| PG | O3G | H15 | 109.5° | 114.0° |
| O3B | PB | O2B | 108.9° | 109.4° |
| O3B | PB | O3A | 106.4° | 109.5° |
| O3B | PB | O1B | 107.7° | 109.5° |
| N4 | C4 | C5 | 121.0° | 120.2° |
| N4 | C4 | N3 | 120.3° | 120.2° |
| C4 | N4 | H9 | 120.0° | 120.0° |
| C4 | N4 | H10 | 120.0° | 120.0° |
| C5 | C4 | N3 | 118.7° | 119.6° |
| C4 | C5 | C6 | 118.5° | 119.0° |
| C4 | C5 | H5 | 120.8° | 120.5° |
| C4 | N3 | C2 | 121.5° | 120.7° |
| C5 | C6 | N1 | 120.2° | 119.3° |
| C6 | C5 | H5 | 120.8° | 120.6° |
| C5 | C6 | H8 | 119.9° | 120.4° |
| O2B | PB | O3A | 108.4° | 109.5° |
| O2B | PB | O1B | 113.4° | 109.4° |
| O3A | PB | O1B | 111.8° | 109.5° |
| PB | O3A | PA | 129.2° | 134.0° |
| PB | O1B | H11 | 109.5° | 113.9° |
| O3A | PA | O1A | 107.5° | 109.5° |
| O3A | PA | O2A | 112.5° | 109.4° |
| O3A | PA | O5' | 107.8° | 109.5° |
| O1A | PA | O2A | 111.4° | 109.5° |
| O1A | PA | O5' | 108.9° | 109.5° |
| N3 | C2 | N1 | 122.2° | 121.1° |
| N3 | C2 | O2 | 117.7° | 119.5° |
| C6 | N1 | C2 | 118.8° | 120.3° |
| C6 | N1 | C1' | 120.4° | 119.8° |
| N1 | C6 | H8 | 119.9° | 120.3° |
| O2A | PA | O5' | 108.6° | 109.5° |
| PA | O2A | H12 | 109.5° | 114.0° |
| PA | O5' | C5' | 117.4° | 123.0° |
| N1 | C2 | O2 | 120.1° | 119.5° |
| C2 | N1 | C1' | 120.7° | 119.8° |
| N1 | C1' | O4' | 107.8° | 110.0° |
| N1 | C1' | C2' | 117.9° | 109.9° |
| N1 | C1' | H1 | 109.5° | 109.9° |
| O5' | C5' | C4' | 102.8° | 109.4° |
| O5' | C5' | H6 | 111.2° | 109.5° |
| O5' | C5' | H7 | 111.1° | 109.4° |
| C1' | O4' | C4' | 103.1° | 107.0° |
| O4' | C1' | C2' | 103.6° | 107.3° |
| O4' | C1' | H1 | 106.6° | 109.9° |
| O4' | C4' | C5' | 110.2° | 110.8° |
| O4' | C4' | C3' | 106.1° | 103.5° |
| O4' | C4' | H4 | 112.7° | 110.6° |
| C1' | C2' | F1 | 113.4° | 110.5° |
| C1' | C2' | C3' | 103.8° | 104.2° |
| C2' | C1' | H1 | 110.7° | 109.9° |
| C1' | C2' | H2 | 112.4° | 110.5° |
| C5' | C4' | C3' | 110.5° | 110.6° |
| C5' | C4' | H4 | 109.1° | 110.6° |
| C4' | C5' | H6 | 111.1° | 109.5° |
| C4' | C5' | H7 | 111.1° | 109.5° |
| C4' | C3' | C2' | 103.9° | 102.1° |
| C4' | C3' | O3' | 108.1° | 110.9° |
| C4' | C3' | H3 | 108.9° | 110.9° |
| C3' | C4' | H4 | 108.2° | 110.6° |
| F1 | C2' | C3' | 106.8° | 110.5° |
| F1 | C2' | H2 | 110.7° | 110.4° |
| C2' | C3' | O3' | 113.6° | 110.9° |
| C3' | C2' | H2 | 109.2° | 110.6° |
| C2' | C3' | H3 | 109.4° | 110.9° |
| O3' | C3' | H3 | 112.5° | 110.8° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| H6 | C5' | H7 | 109.5° | 109.5° |
| H9 | N4 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3B | 117.6° | 120.0° |
| O1G | PG | O2G | O3G | 122.7° | 120.0° |
| O1G | PG | O3B | O3G | 122.5° | 120.0° |
| O1G | PG | O3B | PB | 115.0° | 40.0° |
| O1G | PG | O2G | H13 | 0.0° | 179.9° |
| O1G | PG | O3G | H15 | 0.0° | 60.0° |
| O2G | PG | O3B | O3G | 119.2° | 120.0° |
| O2G | PG | O3B | PB | 126.7° | 80.0° |
| O2G | PG | O3G | H15 | 122.3° | 60.0° |
| PG | O3B | PB | O2B | 176.8° | 40.0° |
| PG | O3B | PB | O3A | 60.1° | 160.0° |
| PG | O3B | PB | O1B | 59.8° | 80.0° |
| O3B | PG | O2G | H13 | 117.6° | 60.0° |
| O3B | PG | O3G | H15 | 121.6° | 180.0° |
| O3G | PG | O3B | PB | 7.5° | 160.0° |
| O3G | PG | O2G | H13 | 122.7° | 60.1° |
| O3B | PB | O2B | O3A | 115.4° | 120.0° |
| O3B | PB | O2B | O1B | 119.9° | 120.0° |
| O3B | PB | O3A | O1B | 117.3° | 120.0° |
| O3B | PB | O3A | PA | 124.1° | 165.0° |
| O3B | PB | O1B | H11 | 120.5° | 60.0° |
| N4 | C4 | C5 | N3 | 179.3° | 179.8° |
| N4 | C4 | C5 | C6 | 179.6° | 180.0° |
| N4 | C4 | N3 | C2 | 179.4° | 179.8° |
| N4 | C4 | C5 | H5 | 0.4° | 0.2° |
| C4 | N4 | H9 | H10 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 1.0° | 0.5° |
| C4 | C5 | C6 | H8 | 179.0° | 180.0° |
| C5 | C4 | N4 | H9 | 179.3° | 0.0° |
| C5 | C4 | N4 | H10 | 0.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.2° |
| C4 | N3 | C2 | N1 | 0.6° | 0.0° |
| C4 | N3 | C2 | O2 | 179.9° | 179.7° |
| N3 | C4 | C5 | H5 | 179.7° | 180.0° |
| N3 | C4 | N4 | H9 | 0.0° | 179.8° |
| N3 | C4 | N4 | H10 | 180.0° | 0.2° |
| C5 | C6 | N1 | H8 | 180.0° | 179.5° |
| C5 | C6 | N1 | C2 | 1.5° | 0.5° |
| C5 | C6 | N1 | C1' | 178.9° | 179.5° |
| O2B | PB | O3A | O1B | 125.7° | 120.0° |
| O2B | PB | O3A | PA | 118.9° | 45.0° |
| O2B | PB | O1B | H11 | 0.0° | 180.0° |
| PB | O3A | PA | O1A | 145.4° | 44.9° |
| PB | O3A | PA | O2A | 22.4° | 75.0° |
| PB | O3A | PA | O5' | 97.3° | 165.0° |
| O3A | PB | O1B | H11 | 122.9° | 60.0° |
| O1B | PB | O3A | PA | 6.8° | 75.0° |
| O3A | PA | O1A | O2A | 123.7° | 120.0° |
| O3A | PA | O1A | O5' | 116.5° | 120.0° |
| O3A | PA | O2A | O5' | 119.2° | 120.0° |
| O3A | PA | O5' | C5' | 67.9° | 175.0° |
| O3A | PA | O2A | H12 | 120.9° | 60.0° |
| O1A | PA | O2A | O5' | 119.9° | 120.0° |
| O1A | PA | O5' | C5' | 175.8° | 54.9° |
| O1A | PA | O2A | H12 | 0.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.3° | 0.3° |
| N3 | C2 | N1 | O2 | 179.3° | 179.7° |
| N3 | C2 | N1 | C1' | 178.7° | 179.7° |
| C6 | N1 | C2 | C1' | 177.4° | 180.0° |
| C6 | N1 | C2 | O2 | 179.4° | 180.0° |
| C6 | N1 | C1' | O4' | 46.4° | 127.1° |
| C6 | N1 | C1' | C2' | 70.3° | 115.0° |
| C6 | N1 | C1' | H1 | 162.0° | 6.0° |
| N1 | C6 | C5 | H5 | 179.0° | 179.8° |
| O2A | PA | O5' | C5' | 54.3° | 65.0° |
| PA | O5' | C5' | C4' | 154.8° | 180.0° |
| PA | O5' | C5' | H6 | 35.9° | 59.9° |
| PA | O5' | C5' | H7 | 86.2° | 60.0° |
| O5' | PA | O2A | H12 | 119.9° | 60.0° |
| C2 | N1 | C1' | O4' | 130.9° | 52.9° |
| C2 | N1 | C1' | C2' | 112.3° | 65.0° |
| C2 | N1 | C1' | H1 | 15.3° | 174.0° |
| C2 | N1 | C6 | H8 | 178.5° | 180.0° |
| O2 | C2 | N1 | C1' | 2.0° | 0.0° |
| N1 | C1' | O4' | C2' | 125.7° | 119.5° |
| N1 | C1' | O4' | H1 | 117.4° | 121.1° |
| N1 | C1' | O4' | C4' | 172.6° | 146.0° |
| N1 | C1' | C2' | H1 | 127.1° | 121.0° |
| N1 | C1' | C2' | F1 | 39.3° | 2.9° |
| N1 | C1' | C2' | C3' | 154.8° | 121.6° |
| N1 | C1' | C2' | H2 | 87.3° | 119.6° |
| C1' | N1 | C6 | H8 | 1.1° | 0.0° |
| O5' | C5' | C4' | O4' | 75.8° | 70.9° |
| O5' | C5' | C4' | H6 | 119.0° | 120.0° |
| O5' | C5' | C4' | H7 | 118.9° | 120.0° |
| O5' | C5' | C4' | C3' | 167.2° | 175.0° |
| O5' | C5' | C4' | H4 | 48.4° | 52.2° |
| O5' | C5' | H6 | H7 | 123.1° | 120.0° |
| O4' | C1' | C2' | H1 | 114.0° | 119.4° |
| C1' | O4' | C4' | C5' | 152.2° | 158.6° |
| C1' | O4' | C4' | C3' | 32.5° | 40.1° |
| O4' | C1' | C2' | F1 | 79.7° | 116.7° |
| O4' | C1' | C2' | C3' | 35.8° | 2.0° |
| O4' | C1' | C2' | H2 | 153.7° | 120.9° |
| C1' | O4' | C4' | H4 | 85.7° | 78.4° |
| C4' | O4' | C1' | C2' | 46.9° | 26.5° |
| O4' | C4' | C5' | C3' | 117.0° | 114.1° |
| O4' | C4' | C5' | H4 | 124.2° | 123.1° |
| O4' | C4' | C3' | H4 | 121.1° | 118.5° |
| O4' | C4' | C3' | C2' | 12.8° | 37.0° |
| O4' | C4' | C3' | O3' | 133.8° | 155.2° |
| C4' | O4' | C1' | H1 | 70.0° | 92.9° |
| O4' | C4' | C3' | H3 | 103.7° | 81.2° |
| O4' | C4' | C5' | H6 | 43.2° | 169.1° |
| O4' | C4' | C5' | H7 | 165.3° | 49.1° |
| C1' | C2' | C3' | C4' | 18.0° | 20.9° |
| C1' | C2' | F1 | C3' | 113.8° | 114.8° |
| C1' | C2' | F1 | H2 | 127.5° | 122.5° |
| C1' | C2' | C3' | H2 | 120.1° | 118.8° |
| C1' | C2' | C3' | O3' | 99.2° | 139.1° |
| C1' | C2' | C3' | H3 | 134.2° | 97.3° |
| C5' | C4' | C3' | H4 | 119.4° | 122.8° |
| C5' | C4' | C3' | C2' | 132.3° | 155.7° |
| C5' | C4' | C3' | O3' | 106.7° | 86.1° |
| C5' | C4' | C3' | H3 | 15.8° | 37.5° |
| C4' | C5' | H6 | H7 | 123.1° | 120.0° |
| C4' | C3' | C2' | F1 | 102.1° | 139.6° |
| C4' | C3' | C2' | O3' | 117.2° | 118.2° |
| C4' | C3' | C2' | H3 | 116.2° | 118.2° |
| C4' | C3' | O3' | H3 | 120.3° | 123.6° |
| C4' | C3' | C2' | H2 | 138.2° | 97.9° |
| C3' | C4' | C5' | H6 | 73.8° | 55.0° |
| C3' | C4' | C5' | H7 | 48.3° | 65.0° |
| C4' | C3' | O3' | H14 | 180.0° | 174.1° |
| F1 | C2' | C3' | H2 | 119.8° | 122.6° |
| F1 | C2' | C3' | O3' | 140.7° | 102.3° |
| F1 | C2' | C1' | H1 | 166.3° | 123.9° |
| F1 | C2' | C3' | H3 | 14.1° | 21.4° |
| C2' | C3' | O3' | H3 | 125.0° | 123.7° |
| C3' | C2' | C1' | H1 | 78.1° | 117.4° |
| C2' | C3' | C4' | H4 | 108.3° | 81.5° |
| C2' | C3' | O3' | H14 | 65.3° | 61.5° |
| O3' | C3' | C2' | H2 | 20.9° | 20.3° |
| O3' | C3' | C4' | H4 | 12.7° | 36.7° |
| H1 | C1' | C2' | H2 | 39.8° | 1.4° |
| H2 | C2' | C3' | H3 | 105.7° | 143.9° |
| H3 | C3' | C4' | H4 | 135.2° | 160.3° |
| H3 | C3' | O3' | H14 | 59.7° | 62.2° |
| H4 | C4' | C5' | H6 | 167.3° | 67.8° |
| H4 | C4' | C5' | H7 | 70.5° | 172.2° |
| H5 | C5 | C6 | H8 | 1.0° | 0.2° |
